3-methyl-2-pyrazin-2-ylbutanenitrile

C9H11N3 — CID 83694825

IUPAC3-methyl-2-pyrazin-2-ylbutanenitrile
SMILESCC(C)C(C#N)c1cnccn1
InChIInChI=1S/C9H11N3/c1-7(2)8(5-10)9-6-11-3-4-12-9/h3-4,6-8H,1-2H3
InChIKeyMHJJFRRWEJSYBJ-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.74
Rot. Bonds2

About 3-methyl-2-pyrazin-2-ylbutanenitrile

3-methyl-2-pyrazin-2-ylbutanenitrile (PubChem CID 83694825) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 3-methyl-2-pyrazin-2-ylbutanenitrile.

Molecular Properties

Compound Name3-methyl-2-pyrazin-2-ylbutanenitrile
PubChem CID83694825
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name3-methyl-2-pyrazin-2-ylbutanenitrile
SMILESCC(C)C(C#N)c1cnccn1
InChIInChI=1S/C9H11N3/c1-7(2)8(5-10)9-6-11-3-4-12-9/h3-4,6-8H,1-2H3
InChIKeyMHJJFRRWEJSYBJ-UHFFFAOYSA-N
XLogP1.74
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pyrazin-2-ylbutanenitrile?
The IUPAC name of 3-methyl-2-pyrazin-2-ylbutanenitrile (CID 83694825) is 3-methyl-2-pyrazin-2-ylbutanenitrile.
What is the SMILES notation for 3-methyl-2-pyrazin-2-ylbutanenitrile?
The canonical SMILES for 3-methyl-2-pyrazin-2-ylbutanenitrile is CC(C)C(C#N)c1cnccn1.
What is the InChIKey of 3-methyl-2-pyrazin-2-ylbutanenitrile?
The InChIKey is MHJJFRRWEJSYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-7(2)8(5-10)9-6-11-3-4-12-9/h3-4,6-8H,1-2H3.
What are the key properties of 3-methyl-2-pyrazin-2-ylbutanenitrile?
3-methyl-2-pyrazin-2-ylbutanenitrile has a molecular weight of 161.21 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pyrazin-2-ylbutanenitrile is sourced from PubChem (CID 83694825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).